[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone

C14H12N2O2 — CID 3159764

IUPAC[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone
SMILESO=C(C1=NNCC1c1ccco1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-14(10-5-2-1-3-6-10)13-11(9-15-16-13)12-7-4-8-18-12/h1-8,11,15H,9H2
InChIKeyPKUDCNRUOOYXAT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.21
Rot. Bonds3

About [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone

[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone (PubChem CID 3159764) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone
PubChem CID3159764
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone
SMILESO=C(C1=NNCC1c1ccco1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-14(10-5-2-1-3-6-10)13-11(9-15-16-13)12-7-4-8-18-12/h1-8,11,15H,9H2
InChIKeyPKUDCNRUOOYXAT-UHFFFAOYSA-N
XLogP2.21
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{4-(furan-2-yl)-3-[(3-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 3319593
methyl 5-(2-furoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 4580080
Methyl 5-(2-furylcarbonyl)-4-(4-methoxyphenyl)-2-pyrazoline-3-carboxylate
CID 3158759
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
1-{4-(furan-2-yl)-3-[(4-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 5001642
3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one
CID 2810106
5-Furyl-6-phenyl-3(2h)-pyridazinone
CID 11149106
N-[(E)-[(E)-3-(2-Furyl)prop-2-enylidene]amino]-2-phenyl-acetamide
CID 6895097
1-[4-(Furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]ethan-1-one
CID 12344371
carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
CID 135004161
carbon monoxide;[[(4S,5S)-5-ethenyl-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
CID 135055531
[1-(4-Fluorophenyl)-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105198335

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone (CID 3159764) is [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone is O=C(C1=NNCC1c1ccco1)c1ccccc1.
What is the InChIKey of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone?
The InChIKey is PKUDCNRUOOYXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(10-5-2-1-3-6-10)13-11(9-15-16-13)12-7-4-8-18-12/h1-8,11,15H,9H2.
What are the key properties of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone?
[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone has a molecular weight of 240.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone is sourced from PubChem (CID 3159764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).